NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *10 F 4.6628 8.3131 120.9225 56.5413 40.9291 174.3142 11 G 3.8632 8.7201 107.9527 44.1381 0.0000 171.4330 12 K 4.7755 8.8202 127.3829 53.6484 35.0646 172.4842 13 K 4.3812 8.3714 124.2406 53.9645 33.3471 177.9620 14 K 4.2107 9.6511 132.9218 55.8806 28.7159 175.6077 15 S 4.5013 8.6003 115.3155 57.7292 60.7803 170.3282 16 A 4.7777 7.4043 122.5155 52.4512 22.5154 176.4460 17 T 4.5778 7.9478 108.8371 60.8466 72.9075 169.6315 18 A 5.0609 9.4665 132.0522 49.8305 21.6771 176.1657 19 V 4.6571 8.2262 121.0378 59.9621 33.6963 172.6337 20 A 4.7160 8.6529 127.6162 50.9324 20.7371 176.3599 *21 H 4.8731 8.9243 123.8730 54.0756 30.2651 172.2374 22 V 4.3395 8.2124 124.8102 60.2351 34.8427 172.3585 23 K 4.3214 8.6291 125.1568 53.2597 35.1097 171.3157 24 A 4.1281 9.0021 127.7402 51.1108 18.6805 175.4717 25 G 3.8903 8.9187 114.5674 46.4619 0.0000 174.7280 26 K 4.7698 8.7518 131.2904 54.8643 35.4062 172.8897 27 G 3.7994 8.7806 110.7264 48.7939 0.0000 173.3299 28 L 3.3740 8.4633 113.9302 56.0191 37.2719 168.8075 29 I 4.3133 7.6661 123.9806 59.3873 36.5078 174.8570 30 K 4.4640 8.6479 134.7663 54.4448 32.8521 174.5304 31 V 4.3151 8.4415 126.7691 60.1612 33.3773 172.0925 32 N 4.5460 9.4649 126.5473 49.9315 36.0794 173.5466 33 G 4.8735 6.9305 111.6656 46.8447 0.0000 174.3920 34 S 4.6005 7.8556 122.1974 57.1472 62.7175 178.5514 35 P 4.7732 0.0000 0.0000 63.2456 33.3329 175.9015 36 I 3.8897 8.3658 122.5918 61.0166 35.0050 174.8414 37 T 4.2558 8.3305 116.9274 65.1916 70.2736 181.3250 38 L 4.2310 8.3031 122.2686 54.7618 39.8569 182.3173 39 V 3.3238 8.9990 112.5618 63.2331 28.1379 174.4568 40 E 4.3966 8.2505 120.4253 56.1804 31.0123 176.7542 41 P 4.8005 0.0000 0.0000 63.1177 31.0465 183.1561 42 E 4.2148 8.7157 122.0687 56.9844 30.4625 183.7728 43 I 3.0605 9.9095 116.1545 62.4107 35.8974 179.4568 44 L 4.4613 9.0072 118.8753 55.6757 39.4269 180.5916 45 R 4.2108 7.7391 123.0073 59.0683 31.0274 180.4250 *46 F 4.4765 7.9219 118.2827 58.1510 38.7141 181.9319 47 K 3.6223 8.8743 117.9646 58.1988 30.2238 173.3163 48 V 4.3862 8.3596 119.1034 66.4557 33.3230 183.3065 *49 Y 4.5758 7.5720 121.4710 60.4579 36.7323 179.3673 50 E 4.8107 8.0737 121.1752 59.2242 30.3518 181.5996 51 P 4.6034 0.0000 0.0000 68.5743 31.1713 183.6673 52 L 4.2766 7.9645 123.1011 59.8579 40.8181 181.5297 53 L 4.4138 8.0989 125.8471 59.9617 40.7246 181.5914 54 L 4.0163 7.7076 124.8038 60.0086 40.9605 181.8463 55 V 4.2094 7.7248 117.9412 64.7333 31.9829 180.1650 56 G 4.4536 9.0544 109.2010 46.7806 0.0000 173.1434 57 L 5.1214 7.8947 135.0000 56.0720 42.6988 173.5762 58 D 4.8142 8.0788 117.8902 54.8536 47.3800 182.1157 59 K 4.5226 7.7811 122.9513 53.9094 33.6103 178.7460 *60 F 4.7751 8.4153 113.9689 58.4871 40.5844 173.0375 61 S 5.1939 8.4159 124.6224 58.5607 65.7524 183.6880 62 N 4.6662 8.0160 117.4673 52.0858 34.5979 179.9643 63 I 4.7239 7.7707 127.5549 62.0245 37.1049 172.8912 64 D 5.1152 7.0551 135.0000 54.2600 43.5424 180.7435 65 I 4.8115 8.3591 122.7447 61.8496 39.6539 173.8048 66 R 4.5299 8.1341 116.8625 58.7867 32.8321 171.0356 67 V 4.6535 8.1509 123.3992 59.9723 37.0242 173.1281 68 R 4.8386 8.5954 118.8533 57.5681 32.3886 172.9080 69 V 4.7416 9.0791 119.4934 58.8372 35.4180 176.1946 70 T 4.8072 7.6889 119.8516 62.6108 72.3412 170.7476 71 G 4.1404 8.8012 116.7895 44.9697 0.0000 175.0186 72 G 3.7227 8.4313 109.8667 46.7896 0.0000 172.9138 73 G 4.4304 8.1939 115.0291 44.4524 0.0000 172.1857 *74 H 4.3075 9.3007 122.8618 59.1771 27.5073 173.7445 75 V 3.8978 9.1355 126.7918 68.0054 31.8443 179.6810 76 S 4.3684 8.4033 118.3093 64.2046 62.1303 180.3130 77 Q 4.4349 8.8697 125.5686 61.0823 27.5249 182.5800 78 V 3.9076 7.9820 123.9476 67.0122 31.1622 180.6753 *79 Y 4.2790 8.1894 121.1162 61.3158 36.4849 180.1960 80 A 4.1484 8.4721 123.6551 56.2148 18.7121 180.2164 81 I 3.6775 8.0089 120.2985 66.7293 35.0974 179.7326 82 R 4.2424 7.7538 121.3382 61.9123 29.2408 183.0712 83 Q 4.4307 8.3973 118.8692 61.4553 28.2680 182.1500 84 A 3.8679 8.0063 124.1267 54.8923 19.0867 179.8698 85 I 3.5273 7.7193 115.6745 65.7298 35.0192 179.4610 86 A 4.4602 8.2550 128.8861 54.7695 19.1054 178.8217 87 K 4.5117 8.3080 122.6320 56.8910 33.0881 182.4615 88 G 4.2157 7.6690 113.9395 47.0617 0.0000 175.9328 89 L 3.9492 7.0496 124.1891 57.1056 41.3867 182.8612 90 V 4.0493 7.5872 126.6340 61.3018 30.5915 177.7074 91 A 4.6864 8.0938 129.4747 51.5894 20.6380 176.5440 *92 Y 4.5492 7.5413 124.2202 58.0601 41.3783 180.0219 *93 H 5.0557 8.7315 118.1920 55.3187 26.8422 178.2730 94 Q 4.3794 9.1327 122.5994 56.7854 29.4385 179.7159 95 K 4.2313 8.0276 118.5738 56.7589 32.2415 182.7657 *96 Y 4.2725 7.1759 116.0489 60.7055 38.8065 178.1710 97 V 4.5770 8.4640 129.3047 58.6391 29.3117 167.3480 98 D 5.1434 7.6864 126.7204 53.4318 42.6597 180.3208 99 E 4.1490 9.0056 122.4860 56.6425 29.8489 174.1816 100 Q 4.4416 8.4135 115.4203 57.4811 33.2018 179.8952 101 S 3.7248 8.4110 119.5324 59.3338 58.9954 171.9356 102 K 4.3656 7.8702 122.5981 55.8881 32.2037 179.8500 103 N 4.5597 8.1635 117.1802 54.7781 37.0925 181.3486 104 E 3.7478 7.2621 112.8940 61.9346 31.9286 185.0000 105 L 4.3189 8.5226 118.1932 55.1834 42.4203 185.0000 106 K 3.8322 9.9310 123.0261 56.2978 32.1261 179.8550 107 K 4.0006 9.2358 123.7243 58.3900 32.2195 179.0592 108 A 4.3180 9.0523 123.4131 55.8868 18.9977 181.0929 *109 F 4.6127 7.7732 115.0795 57.7310 37.5421 178.4675 110 T 4.3781 8.0354 112.6284 62.7449 71.2755 177.0931 111 S 4.7815 8.3809 119.1450 59.7976 62.6761 178.6857 *112 Y 4.6330 7.4729 120.2164 57.7269 37.5908 178.8951 113 D 5.1202 7.8395 121.6808 53.2390 43.4578 178.6671 114 R 4.5150 8.2348 114.0666 59.1488 33.1465 173.7304 115 T 4.3956 7.5396 111.0967 64.1492 69.8930 183.0768 116 L 4.2237 7.8141 124.4984 57.1263 41.7679 180.9745 117 L 4.2502 7.2930 118.1812 55.2634 39.3798 182.6620 118 I 3.2271 7.3719 119.8344 59.6951 34.9277 174.3389 119 A 4.7442 8.2616 121.2474 52.6331 21.3669 176.5156 120 D 4.6775 8.3511 120.6297 53.1086 40.7515 178.7701 121 S 4.3032 8.7887 120.0038 58.6612 61.9851 172.5474 122 R 4.4333 7.7170 121.8601 57.0916 30.1731 181.1449 123 R 4.3283 8.3622 116.1544 55.1591 32.9995 173.4088 124 P 4.3137 0.0000 0.0000 61.8694 31.2826 173.2115 125 E 4.8279 8.9575 116.3389 57.1988 34.6843 170.1094 126 P 4.2073 0.0000 0.0000 64.1080 31.5353 169.7997 127 K 4.6279 8.1354 128.8319 53.0178 33.1755 173.9440 128 K 4.3323 8.5221 118.2315 55.8857 35.2033 173.1923 *129 F 4.4255 8.7726 123.1858 56.2289 37.8370 172.3935 130 G 4.1738 7.9570 124.8043 45.3464 0.0000 174.4411 131 G 4.0481 8.8200 113.0204 45.2590 0.0000 174.9228 132 K 3.9115 9.1554 125.2895 58.1465 31.3295 174.8762 133 G 3.7075 7.9417 101.8308 44.5126 0.0000 173.3782 134 A 3.6359 9.1856 128.0221 53.2726 16.5894 179.4449 135 R 4.3917 9.0433 115.7944 57.0358 33.4773 178.8056 136 S 4.3596 8.0677 119.8377 58.9853 60.6942 174.5206 137 R 4.6680 8.1623 126.3853 54.7173 30.4588 176.6165 *138 F 3.9519 8.7587 123.7338 56.5870 38.6080 173.4609 139 Q 4.4558 8.5419 121.2195 55.0216 27.7273 176.9128 140 K 4.7887 8.4587 127.1718 52.8180 35.7574 174.3893 141 S 4.7394 8.3622 118.9388 56.6772 63.1687 174.6470 *142 Y 4.1252 7.9290 122.5525 58.4983 37.5357 179.6571 143 R 4.3299 8.4424 119.9036 55.8523 30.0604 175.1668 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *10 F 8.31 4.66 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.72 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.82 4.78 0.00 1.77 1.58 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 0.98 7.81 13 K 8.37 4.38 0.00 1.60 1.68 0.00 1.93 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.26 1.22 7.81 14 K 9.65 4.21 0.00 1.92 1.76 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 0.98 7.81 15 S 8.60 4.50 0.00 3.67 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.40 4.78 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.95 4.58 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 18 A 9.47 5.06 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.23 4.66 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.93 0.00 0.00 20 A 8.65 4.72 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *21 H 8.92 4.87 0.00 2.69 2.85 0.00 7.15 0.00 0.00 0.00 0.00 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.21 4.34 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 23 K 8.63 4.32 0.00 1.48 1.58 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.68 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.11 0.84 7.81 24 A 9.00 4.13 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.92 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.75 4.77 0.00 1.50 1.44 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.66 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 0.97 7.81 27 G 8.78 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.46 3.37 0.00 1.77 1.52 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.67 4.31 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.58 0.91 0.00 0.00 30 K 8.65 4.46 0.00 1.53 1.63 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.34 1.01 7.81 31 V 8.44 4.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.93 0.00 0.00 32 N 9.46 4.55 0.00 2.91 2.83 0.00 0.00 6.65 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 6.93 4.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.86 4.60 0.00 3.61 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.77 0.00 1.93 1.90 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.42 0.00 36 I 8.37 3.89 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.10 0.91 0.00 0.00 37 T 8.33 4.26 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 38 L 8.30 4.23 0.00 1.66 1.02 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 39 V 9.00 3.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 40 E 8.25 4.40 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.86 0.00 41 P 0.00 4.80 0.00 2.08 1.93 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 42 E 8.72 4.21 0.00 1.98 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.88 0.00 43 I 9.91 3.06 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.01 0.91 0.00 0.00 44 L 9.01 4.46 0.00 1.66 1.54 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.74 4.21 0.00 1.73 1.96 0.00 3.22 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 *46 F 7.92 4.48 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.87 3.62 0.00 1.91 1.80 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 0.98 7.81 48 V 8.36 4.39 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 *49 Y 7.57 4.58 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.07 4.81 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 51 P 0.00 4.60 0.00 2.07 2.06 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.64 0.00 52 L 7.96 4.28 0.00 1.74 1.62 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.10 4.41 0.00 1.66 1.70 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.71 4.02 0.00 1.75 1.65 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.72 4.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.93 0.00 0.00 56 G 9.05 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.89 5.12 0.00 1.69 1.57 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.08 4.81 0.00 2.66 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.78 4.52 0.00 1.76 1.65 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 0.99 7.81 *60 F 8.42 4.78 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.42 5.19 0.00 3.62 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.02 4.67 0.00 2.87 2.20 0.00 0.00 6.49 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.77 4.72 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.33 0.91 0.00 0.00 64 D 7.06 5.12 0.00 2.39 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.36 4.81 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.23 0.91 0.00 0.00 66 R 8.13 4.53 0.00 1.52 1.65 0.00 3.17 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.11 0.00 67 V 8.15 4.65 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.93 0.00 0.00 68 R 8.60 4.84 0.00 1.47 1.80 0.00 3.15 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.00 69 V 9.08 4.74 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.93 0.00 0.00 70 T 7.69 4.81 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 71 G 8.80 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.43 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.19 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *74 H 9.30 4.31 0.00 2.93 2.84 0.00 7.23 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 9.14 3.90 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 76 S 8.40 4.37 0.00 3.70 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.87 4.43 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 78 V 7.98 3.91 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.93 0.00 0.00 *79 Y 8.19 4.28 0.00 2.30 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.47 4.15 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.01 3.68 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.70 0.91 0.00 0.00 82 R 7.75 4.24 0.00 1.94 1.76 0.00 3.26 0.00 0.00 3.26 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 83 Q 8.40 4.43 0.00 1.91 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.44 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 84 A 8.01 3.87 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.72 3.53 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.70 0.91 0.00 0.00 86 A 8.25 4.46 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.31 4.51 0.00 1.83 1.69 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.32 7.81 88 G 7.67 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.05 3.95 0.00 1.63 1.58 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.59 4.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 91 A 8.09 4.69 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *92 Y 7.54 4.55 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *93 H 8.73 5.06 0.00 2.92 2.72 0.00 7.05 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 9.13 4.38 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.03 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 95 K 8.03 4.23 0.00 1.77 1.73 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.35 1.00 7.81 *96 Y 7.18 4.27 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.46 4.58 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.93 0.00 0.00 98 D 7.69 5.14 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 9.01 4.15 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.89 0.00 100 Q 8.41 4.44 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.52 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 101 S 8.41 3.72 0.00 3.76 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 K 7.87 4.37 0.00 1.77 1.73 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.00 7.81 103 N 8.16 4.56 0.00 2.74 2.75 0.00 0.00 6.61 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 7.26 3.75 0.00 2.01 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.17 0.00 105 L 8.52 4.32 0.00 1.56 1.05 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 106 K 9.93 3.83 0.00 1.75 1.33 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 0.99 7.81 107 K 9.24 4.00 0.00 1.76 1.80 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.06 7.81 108 A 9.05 4.32 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *109 F 7.77 4.61 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.04 4.38 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 111 S 8.38 4.78 0.00 3.61 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *112 Y 7.47 4.63 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.84 5.12 0.00 2.65 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.23 4.51 0.00 1.76 1.77 0.00 3.21 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.12 0.00 115 T 7.54 4.40 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 116 L 7.81 4.22 0.00 1.66 1.62 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.29 4.25 0.00 1.65 1.55 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.37 3.23 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.99 0.91 0.00 0.00 119 A 8.26 4.74 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.35 4.68 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.79 4.30 0.00 3.62 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.72 4.43 0.00 1.84 1.73 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.44 0.00 123 R 8.36 4.33 0.00 1.76 1.67 0.00 3.27 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.08 0.00 124 P 0.00 4.31 0.00 2.08 1.90 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.62 0.00 125 E 8.96 4.83 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.63 0.00 126 P 0.00 4.21 0.00 2.23 1.93 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.56 0.00 127 K 8.14 4.63 0.00 1.70 1.40 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 0.97 7.81 128 K 8.52 4.33 0.00 1.71 1.54 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.20 0.93 7.81 *129 F 8.77 4.43 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 7.96 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 8.82 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 9.16 3.91 0.00 1.78 1.79 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.06 7.81 133 G 7.94 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 9.19 3.64 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 9.04 4.39 0.00 1.79 1.78 0.00 3.29 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 136 S 8.07 4.36 0.00 3.64 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.16 4.67 0.00 1.82 1.74 0.00 3.28 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 *138 F 8.76 3.95 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.54 4.46 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.70 0.00 0.00 0.00 0.00 0.00 2.22 1.91 0.00 140 K 8.46 4.79 0.00 1.72 1.55 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.24 0.95 7.81 141 S 8.36 4.74 0.00 3.56 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *142 Y 7.93 4.13 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.44 4.33 0.00 1.80 1.69 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.15 0.00 * Residues marked with a * may have inaccurate shift predictions.